HMDB0040429 RDKit 3D Diethyl decanedioate 44 43 0 0 0 0 0 0 0 0999 V2000 5.1634 -2.3346 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6817 -2.0523 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 -0.7008 -0.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 0.3563 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 0.0783 1.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 1.7775 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7825 1.9997 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 1.3780 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 1.6013 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 1.1188 0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 1.4594 1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 0.8182 0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 -0.6897 0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 -1.1150 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3548 -1.0740 -1.1726 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4924 -1.5437 0.7197 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6336 -1.9307 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0369 -0.7400 -0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 -3.0996 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7216 -1.3991 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 -2.7036 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 -2.4223 0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -2.6218 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5437 2.2212 0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0874 2.2856 1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 1.6391 -1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 3.1180 -1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 0.2559 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 1.6614 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1025 2.6599 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 1.0235 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3091 -0.0163 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1221 1.4422 1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 2.5670 1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9751 1.1948 2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1247 1.0745 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 1.2069 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 -1.0184 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1077 -1.1722 1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4101 -2.2095 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3778 -2.7778 -0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0994 -0.4669 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3688 0.1432 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 -0.9922 -1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 M END